SCHEMBL23326232

SCHEMBL23326232

CSc1ccc(NC(=O)Nc2cc3ncc(Nc4ccccc4)nc3nc2C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 11/20 0.64
▸ HTR2C P28335 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ MAPT P10636 4/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ TP53 P04637 2/20 0.45
▸ GBA1 P04062 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MAPK1 P28482 5/20 0.45
▸ MAPK14 Q16539 2/20 0.45
▸ MAPK8 P45983 6/20 0.44
▸ MAPK9 P45984 6/20 0.44
▸ MAPK10 P53779 6/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 3/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23344453 0.92 PIK3CA (0.68) PIK3CAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL23344436 0.88 PIK3CA (0.52) PIK3CAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL23326325 0.86 PIK3CA (0.58) PIK3CAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL23344505 0.84 PIK3CA (0.86) PIK3CAHTR2CHTR2BMAPTSMN1; SMN2
SCHEMBL23344475 0.82 PIK3CA (0.52) PIK3CAMAPK8MAPK9MAPK10
SCHEMBL23326235 0.82 PIK3CA (0.54) PIK3CAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL23326380 0.81 PIK3CA (0.55) PIK3CAMAPTNPC1RAB9AMAPK1
SCHEMBL23326267 0.80 PIK3CA (0.56) PIK3CAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL23326225 0.80 PIK3CA (0.53) PIK3CAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL20595313 0.78 CDK8 (0.52) PIK3CAMAPTNPC1RAB9AMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11117894-B2 Pyridopyrazine compounds and uses thereof CITY OF HOPE (US) 2021-09-14 — — US disclosed
US-11117894-B2 Pyridopyrazine compounds and uses thereof CITY OF HOPE (US) 2021-09-14 — — US disclosed
US-20210139476-A1 PYRIDOPYRAZINE COMPOUNDS AND USES THEREOF NATIONAL AND KAPODISTRIAN UNIVERSITY OF ATHENS (GR) 2021-05-13 — — US disclosed
US-20210139476-A1 PYRIDOPYRAZINE COMPOUNDS AND USES THEREOF NATIONAL AND KAPODISTRIAN UNIVERSITY OF ATHENS (GR) 2021-05-13 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11117894-B2 Pyridopyrazine compounds and uses thereof PDXK, DPYD, PNPO PIK3CA 1262/4885HTR2C 402/4885HTR2B 499/4885
US-20210139476-A1 PYRIDOPYRAZINE COMPOUNDS AND USES THEREOF PDXK, DPYD, PNPO PIK3CA 1262/4885HTR2C 402/4885HTR2B 499/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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